UCSF

ZINC34628191

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 1.73 -5.68 2 3 0 49 219.162 2
Hi High (pH 8-9.5) 2.20 2.5 -37.04 1 3 -1 52 218.154 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )